9-(3-chloranyl-5-methoxy-4-oxidanyl-phenyl)-2,6,7-tris(oxidanyl)xanthen-3-one

Systemtic Name: 9-(3-chloranyl-5-methoxy-4-oxidanyl-phenyl)-2,6,7-tris(oxidanyl)xanthen-3-one Openeye Name: 9-(3-chloro-4-hydroxy-5-methoxy-phenyl)-2,6,7-trihydroxy-xanthen-3-one CAS Name: 9-(3-chloro-4-hydroxy-5-methoxyphenyl)-2,6,7-trihydroxy-3-xanthenone IUPAC Name: 9-(3-chloro-4-hydroxy-5-methoxyphenyl)-2,6,7-trihydroxyxanthen-3-one Traditional Name: 9-(3-chloro-4-hydroxy-5-methoxy-phenyl)-2,6,7-trihydroxy-fluorone Formula: C20H13ClO7 MolecularWeight: 400.76602

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C2=C3C=C(C(=O)C=C3OC4=CC(=C(C=C42)O)O)O)Cl)O

Isomeric SMILES

COC1=C(C(=CC(=C1)C2=C3C=C(C(=O)C=C3OC4=CC(=C(C=C42)O)O)O)Cl)O

InChI

InChI=1S/C20H13ClO7/c1-27-18-3-8(2-11(21)20(18)26)19-9-4-12(22)14(24)6-16(9)28-17-7-15(25)13(23)5-10(17)19/h2-7,22-24,26H,1H3